canSAR539344
FEATURES
Loading...
NAMES
    SMILES
    CC(=O)O.NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
    InChI
    InChI=1S/C25H38N2O6S.C2H4O2/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-5-14-33-15-6-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28;1-2(3)4/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32);1H3,(H,3,4)/t25-;/m0./s1
    MOLECULAR FORMULA
    C27H42N2O8S
    CROSS REFERENCES
    Loading...
    canSAR539344
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight554.27
    AlogP2.85
    HBond donors7
    HBond acceptors10
    Atoms80
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539344.